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1,3-Dimethyl-2,3-dihydro-1H-indene

HCID 20143
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
4175-53-5
Standard SMILES
CC1CC(C)c2ccccc21
InChIKey
IIJUYSSJMAITHJ-UHFFFAOYSA-N
Molecular formula
C11H14
Average molar mass
146.23 g/mol
Monoisotopic mass
146.10955045

Names & identifiers

Preferred name
1,3-Dimethyl-2,3-dihydro-1H-indene
IUPAC
1,3-dimethyl-2,3-dihydro-1H-indene
English name
1H-Indene,2,3-dihydro-1,3-dim
Molecular formula
C11H14
Molecular weight
146.23

Names & synonyms

1,3-dimethyl-2,3-dihydro-1H-indeneDTXSID30961953RefChem:1052866DTXCID0010062431,3-DimethylindanIndan, 1,3-dimethyl-4175-53-51H-Indene, 2,3-dihydro-1,3-dimethyl-1,3-Dimethyl-(2,3-dihydroindene)2,3-Dihydro-1,3-dimethyl-1H-indeneNSC5241NSC 5241
Show more names
1,3-Dimethylindane1H-Indene,2,3-dihydro-1,3-dim
Indan,3-dimethyl-1,3-dimethyl-indane1,3-Dimethylindane #SCHEMBL413656SCHEMBL1702983SCHEMBL2450946SCHEMBL30298332NSC-5241

Database identifiers

CAS
4175-53-5
PubChem CID
20143
DTXSID
DTXSID30961953
Nikkaji
J101.405F

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
11
Formal charge
0
Complexity
123

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

EPA Substance Registry System
1 · 1,3-Dimethylindan (4175-53-5)

Related reactions

4 records
New reaction record
HRID 372081 reaction equation
HRID 372081As reactantuspto-grants-1978_05
HRID 1834213 reaction equation
HRID 1834213As reactantuspto-grants-1978_01
HRID 2052172 reaction equation
HRID 2052172As reactantuspto-grants-1980_01
HRID 2155386 reaction equation
HRID 2155386As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes